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SMILES: CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1

InChI Key: InChIKey=LRPFDZCHJQTXPT-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50443452   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50443452
PNG
(CHEMBL3087445)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C19H22FN7S/c1-12-17(28-18(21)23-12)16-15(20)11-22-19(25-16)24-13-4-3-5-14(10-13)27-8-6-26(2)7-9-27/h3-5,10-11H,6-9H2,1-2H3,(H2,21,23)(H,22,24,25)
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Article
PubMed
65n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50443452
PNG
(CHEMBL3087445)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C19H22FN7S/c1-12-17(28-18(21)23-12)16-15(20)11-22-19(25-16)24-13-4-3-5-14(10-13)27-8-6-26(2)7-9-27/h3-5,10-11H,6-9H2,1-2H3,(H2,21,23)(H,22,24,25)
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Article
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68n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50443452
PNG
(CHEMBL3087445)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C19H22FN7S/c1-12-17(28-18(21)23-12)16-15(20)11-22-19(25-16)24-13-4-3-5-14(10-13)27-8-6-26(2)7-9-27/h3-5,10-11H,6-9H2,1-2H3,(H2,21,23)(H,22,24,25)
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Article
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476n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50443452
PNG
(CHEMBL3087445)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C19H22FN7S/c1-12-17(28-18(21)23-12)16-15(20)11-22-19(25-16)24-13-4-3-5-14(10-13)27-8-6-26(2)7-9-27/h3-5,10-11H,6-9H2,1-2H3,(H2,21,23)(H,22,24,25)
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Article
PubMed
11n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair